SCHEMBL3730618

SCHEMBL3730618

CCOC(=O)CNCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 4/20 0.51
PPIB P23284 1/20 0.51
PPIA P62937 1/20 0.51
PPIG Q13427 1/20 0.51
PPARG P37231 2/20 0.51
EPHX2 P34913 1/20 0.51
KCNQ2 O43526 3/20 0.49
KCNQ3 O43525 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
KCNQ4 P56696 1/20 0.46
KCNQ5 Q9NR82 1/20 0.46
RORC P51449 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SCN8A Q9UQD0 1/20 0.45
POLB P06746 1/20 0.45
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4424810 0.96 PPID (0.56) PPIDPPIBPPIAPPIGPPARG
SCHEMBL13993814 0.86 LSS (0.47) RORCSCN8APPARDPPARALSS
SCHEMBL16839663 0.86 EPHX2 (0.49) PPARGEPHX2KCNQ2KCNQ3NPSR1
SCHEMBL13887110 0.85 L3MBTL1 (0.48) PPIDPPIBPPIAPPIGSMN1; SMN2
SCHEMBL11954288 0.83 SCN8A (0.53) PPARGEPHX2KCNQ2KCNQ3NPSR1
SCHEMBL3176370 0.83 LMNA (0.51) PPIDPPIBPPIAPPIGPPARG
SCHEMBL11187635 0.83 PPID (0.54) PPIDPPIBPPIAPPIGSMN1; SMN2
SCHEMBL8252663 0.83 SMN1; SMN2 (0.54) PPIDPPIBPPIAPPIGSMN1; SMN2
SCHEMBL14477029 0.80 PPID (0.51) PPIDPPIBPPIAPPIGSMN1; SMN2
SCHEMBL13274881 0.80 PPID (0.51) PPIDPPIBPPIAPPIGSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354092-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-01-15 US disclosed
US-8354092-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-01-15 US disclosed
US-8354092-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-01-15 US disclosed
EP-2468734-A1 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry Siemens Medical Solutions USA, Inc. (US) 2012-06-27 EP disclosed
US-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-12-16 US disclosed
US-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-12-16 US disclosed
US-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-12-16 US disclosed
US-7829063-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-11-09 US disclosed
US-7829063-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-11-09 US disclosed
US-7829063-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-11-09 US disclosed
CN-101679318-A Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Linkage Chemistry SIEMENS MEDICAL SOLUTIONS 2010-03-24 CN disclosed
EP-2129666-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY Siemens Medical Solutions USA, Inc. (US) 2009-12-09 EP disclosed
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-05-14 US disclosed
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-05-14 US disclosed
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-05-14 US disclosed
WO-2008124703-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2008-10-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry CA9, CA4, CA13 PPID 1122/4885PPIB 1354/4885PPIA 1007/4885
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY CA9, CA4, CA13 PPID 1122/4885PPIB 1354/4885PPIA 1007/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.